SCHEMBL10174676

SCHEMBL10174676

CCc1ccncc1C(=O)OCCN1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
HPGD P15428 1/20 0.50
MEN1 O00255 2/20 0.48
GAA P10253 1/20 0.47
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
THPO P40225 1/20 0.46
PMP22 Q01453 1/20 0.46
HTR4 Q13639 2/20 0.44
GLA P06280 1/20 0.44
CYP3A4 P08684 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10175372 0.99 KMT2A (0.52) KMT2AHPGDMEN1GAATSHR
SCHEMBL10174502 0.81 KMT2A (0.65) KMT2AHPGDMEN1GAATSHR
SCHEMBL18149317 0.77 TSHR (0.52) KMT2AMEN1TSHRALDH1A1CYP1A2
SCHEMBL30465486 0.73 KDM4E (0.57) KMT2AHPGDGAATSHRALDH1A1
SCHEMBL4074620 0.73 KDM4E (0.57) KMT2AHPGDGAATSHRALDH1A1
SCHEMBL4640764 0.71 HRH3 (0.49) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL17950860 0.71 ALDH1A1 (0.40) GAAALDH1A1CYP2D6GLA
SCHEMBL9392524 0.70 KMT2A (0.51) KMT2AHPGDMEN1TSHRALDH1A1
SCHEMBL10508145 0.69 HPGD (0.67) KMT2AHPGDMEN1TSHRALDH1A1
SCHEMBL3802756 0.69 KDM4E (0.36) GAATSHRALDH1A1CYP1A2CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 US disclosed
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 US disclosed
EP-1550662-B1 ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO (JP) 2012-07-04 EP disclosed
US-8148371-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-04-03 US disclosed
US-8148371-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-04-03 US disclosed
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2010-10-07 US disclosed
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2010-10-07 US disclosed
US-7754728-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-13 US disclosed
US-7754728-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, P2RY10, HRH4 KMT2A 2009/4885HPGD 518/4885MEN1 4687/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 KMT2A 1817/4885HPGD 449/4885MEN1 4641/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.